N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C25H23FN4O — CID 67268195

IUPACN-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C25H23FN4O/c26-22-7-3-6-18(14-22)24-9-8-20(16-28-24)25(31)29-23-10-12-30(13-11-23)17-21-5-2-1-4-19(21)15-27/h1-9,14,16,23H,10-13,17H2,(H,29,31)
InChIKeyUDJIVIXXWNEDCU-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.15
Rot. Bonds5

About N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67268195) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67268195
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC NameN-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C25H23FN4O/c26-22-7-3-6-18(14-22)24-9-8-20(16-28-24)25(31)29-23-10-12-30(13-11-23)17-21-5-2-1-4-19(21)15-27/h1-9,14,16,23H,10-13,17H2,(H,29,31)
InChIKeyUDJIVIXXWNEDCU-UHFFFAOYSA-N
XLogP4.15
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
6-(3-fluorophenyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267267
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
CID 91187422
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]acetic acid
CID 69295626
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid
CID 67267508
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268177

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67268195) is N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is N#Cc1ccccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is UDJIVIXXWNEDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-22-7-3-6-18(14-22)24-9-8-20(16-28-24)25(31)29-23-10-12-30(13-11-23)17-21-5-2-1-4-19(21)15-27/h1-9,14,16,23H,10-13,17H2,(H,29,31).
What are the key properties of N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67268195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).